• Formula : PbS
  • Space Group : C2 (5)
    Centrosymmetric : False
    Dimensionality : 2D
  • Structure parameters
    a = 5.7279
    b = 5.7886
    c = 23.939
    α = 90.0
    β = 98.947
    γ = 90.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 40
  • Band gap = 1.0591 eV
    Direct Gap = 1.094 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 68712

Band structure with spin-orbit coupling